N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine

C14H15N3 — CID 159564290

IUPACN-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine
SMILESCc1c(NC2=NCCC2)cnc2ccccc12
InChIInChI=1S/C14H15N3/c1-10-11-5-2-3-6-12(11)16-9-13(10)17-14-7-4-8-15-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,17)
InChIKeyMGZXCYFHYPFUNC-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.15
Rot. Bonds1

About N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine

N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine (PubChem CID 159564290) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine
PubChem CID159564290
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC NameN-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine
SMILESCc1c(NC2=NCCC2)cnc2ccccc12
InChIInChI=1S/C14H15N3/c1-10-11-5-2-3-6-12(11)16-9-13(10)17-14-7-4-8-15-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,17)
InChIKeyMGZXCYFHYPFUNC-UHFFFAOYSA-N
XLogP3.15
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine (CID 159564290) is N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine is Cc1c(NC2=NCCC2)cnc2ccccc12.
What is the InChIKey of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine?
The InChIKey is MGZXCYFHYPFUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-10-11-5-2-3-6-12(11)16-9-13(10)17-14-7-4-8-15-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,17).
What are the key properties of N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine?
N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine has a molecular weight of 225.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrrol-5-yl)-4-methylquinolin-3-amine is sourced from PubChem (CID 159564290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).